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DFT studies of hydrocarbon combustion on metal surfaces
Arja, Mina
University of Borås, Faculty of Textiles, Engineering and Business.
Akbar Mirzaei, Ali
University of Sistan and Baluchestan, Zahedan 98135-674, Iran.
Mahmood Davarpanah, Abdol
University of Sistan and Baluchestan, Zahedan 98135-674, Iran.
Masoud Barakati, Seyed
University of Sistan and Baluchestan, Zahedan 98135-674, Iran.
Mohsenzadeh, Abas
University of Borås, Faculty of Textiles, Engineering and Business.
ORCID iD:
0000-0002-9630-2657
Atashi, Hossein
University of Sistan and Baluchestan, Zahedan 98135-674, Iran.
Bolton, Kim
University of Borås, Faculty of Textiles, Engineering and Business.
Show others and affiliations
2018 (English)
In:
Journal of Molecular Modeling, ISSN 1610-2940, E-ISSN 0948-5023, Vol. 24, p. 47-
Article in journal (Refereed) Published
Sustainable development
According to the author(s), the content of this publication falls within the area of sustainable development.
Place, publisher, year, edition, pages
2018. Vol. 24, p. 47-
Keywords [en]
Density functional theory, Hydrocarbon combustion, Brønsted-Evans-Polanyi relationship, Catalyst
National Category
Physical Chemistry
Research subject
Resource Recovery
Identifiers
URN:
urn:nbn:se:hb:diva-14302
DOI:
10.1007/s00894-018-3585-z
ISI:
000424742300001
Scopus ID:
2-s2.0-85041453696
OAI: oai:DiVA.org:hb-14302
DiVA, id:
diva2:1212871
Available from:
2018-06-04
Created:
2018-06-04
Last updated:
2021-10-20
Bibliographically approved
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Mohsenzadeh, Abas
Bolton, Kim
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